SCHEMBL29915527

SCHEMBL29915527

C=C(C)C(=O)OC[C@H](N)C(=O)OC(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.52
THRB P10828 1/20 0.37
ALDH1A1 P00352 2/20 0.35
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
NOS2 P35228 1/20 0.33
SLC7A5 Q01650 1/20 0.32
LTA4H P09960 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18640571 1.00 TSHR (0.52) TSHRTHRBALDH1A1NOS1NOS3
SCHEMBL13525584 0.86 NOS1 (0.34) TSHRNOS1NOS3NOS2SLC7A5
SCHEMBL2519906 0.80 GAA (0.37) NOS1NOS3NOS2SLC7A5LTA4H
SCHEMBL1231993 0.78 TSHR (0.59) TSHRTHRBALDH1A1NOS1NOS3
SCHEMBL27887489 0.78 TSHR (0.59) TSHRTHRBALDH1A1NOS1NOS3
SCHEMBL10187395 0.78 TSHR (0.59) TSHRTHRBALDH1A1NOS1NOS3
SCHEMBL17997774 0.78 TSHR (0.59) TSHRTHRBALDH1A1NOS1NOS3
SCHEMBL1810183 0.77 TSHR (0.75) TSHRTHRBALDH1A1
SCHEMBL28815245 0.77 NOS1 (0.35) TSHRNOS1NOS3NOS2SLC7A5
SCHEMBL181537 0.77 TSHR (0.57) TSHRTHRBALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220325072-A1 ZWITTERIONIC CROSSLINKERS, HYDROGELS COMPRISING ZWITTERIONIC CROSSLINKERS, AND METHODS FOR MAKING AND USING UNIVERSITY OF IDAHO 2022-10-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20220325072-A1 ZWITTERIONIC CROSSLINKERS, HYDROGELS COMPRISING ZWITTERIONIC CROSSLINKERS, AND METHODS FOR MAKING AND USING ASS1, GFER, ASIC1 TSHR 1073/4885THRB 2043/4885ALDH1A1 548/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.